3-Methylphenol acetate

Superiority:

The Acetic acid, 3-methylphenyl ester, with the CAS registry number of 122-46-3, is also known as 3-Cresyl acetate. Its EINECS registry number is 204-546-2. This chemical's molecular formula is C₉H₁₀O₂ and molecular weight is 150.17. What's more, its IUPAC name is (3-Methylphenyl) acetate. During using it, you should avoid contacting with skin and eyes.

Physical properties about Acetic acid, 3-methylphenyl ester are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.3 Å²; (9)Index of Refraction: 1.503; (10)Molar Refractivity: 42.41 cm³; (11)Molar Volume: 143.3 cm³; (12)Surface Tension: 34.1 dyne/cm; (13)Density: 1.047 g/cm³; (14)Flash Point: 85.2 °C; (15)Enthalpy of Vaporization: 44.77 kJ/mol; (16)Boiling Point: 211.4 °C at 760 mmHg; (17)Vapour Pressure: 0.183 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 3-Methyl-phenol with Acetic acid. The reaction needs reagent P₂O₅/SiO₂. The reaction time is 6 hours with reaction temperature of 25 °C. The yield is about 72 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-(2-Hydroxy-4-methyl-phenyl)-ethanone. This reaction needs reagent Zirconium tetrachloride and solvent CH₂Cl₂. The reaction time is 8 hours with reaction temperature of 20 °C. The yield is about 95 %.

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